4-acetamido-4-azanyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-acetamido-4-azanyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-acetamido-4-amino-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-acetamido-4-amino-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-acetamido-4-aminocyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-acetamido-4-amino-cyclohexa-2,5-diene-1-carboxylic acid Formula: C9H12N2O3 MolecularWeight: 196.20318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C=CC(C=C1)C(=O)O)N

Isomeric SMILES

CC(=O)NC1(C=CC(C=C1)C(=O)O)N

InChI

InChI=1S/C9H12N2O3/c1-6(12)11-9(10)4-2-7(3-5-9)8(13)14/h2-5,7H,10H2,1H3,(H,11,12)(H,13,14)